1-[3-[3-(aminomethyl)phenyl]-2-(naphthalen-2-ylsulfonylamino)propanoyl]-2-methyl-piperidine-3-carboxylic acid

Systemtic Name: 1-[3-[3-(aminomethyl)phenyl]-2-(naphthalen-2-ylsulfonylamino)propanoyl]-2-methyl-piperidine-3-carboxylic acid Openeye Name: 1-[3-[3-(aminomethyl)phenyl]-2-(2-naphthylsulfonylamino)propanoyl]-2-methyl-piperidine-3-carboxylic acid CAS Name: 1-[3-[3-(aminomethyl)phenyl]-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-methyl-3-piperidinecarboxylic acid IUPAC Name: 1-[3-[3-(aminomethyl)phenyl]-2-(naphthalen-2-ylsulfonylamino)propanoyl]-2-methylpiperidine-3-carboxylic acid Traditional Name: 1-[3-[3-(aminomethyl)phenyl]-2-(2-naphthylsulfonylamino)propanoyl]-2-methyl-nipecotic acid Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCN1C(=O)C(CC2=CC(=CC=C2)CN)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CC1C(CCCN1C(=O)C(CC2=CC(=CC=C2)CN)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C27H31N3O5S/c1-18-24(27(32)33)10-5-13-30(18)26(31)25(15-19-6-4-7-20(14-19)17-28)29-36(34,35)23-12-11-21-8-2-3-9-22(21)16-23/h2-4,6-9,11-12,14,16,18,24-25,29H,5,10,13,15,17,28H2,1H3,(H,32,33)